N-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide

C16H15N3O4 — CID 86584472

IUPACN-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide
SMILESCOc1cccc(C(=NNC(C)=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H15N3O4/c1-11(20)17-18-16(13-4-3-5-15(10-13)23-2)12-6-8-14(9-7-12)19(21)22/h3-10H,1-2H3,(H,17,20)
InChIKeyNBSFDWHNYFRYQH-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.49
Rot. Bonds5

About N-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide

N-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide (PubChem CID 86584472) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide
PubChem CID86584472
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide
SMILESCOc1cccc(C(=NNC(C)=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C16H15N3O4/c1-11(20)17-18-16(13-4-3-5-15(10-13)23-2)12-6-8-14(9-7-12)19(21)22/h3-10H,1-2H3,(H,17,20)
InChIKeyNBSFDWHNYFRYQH-UHFFFAOYSA-N
XLogP2.49
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 4185393
N-[(3-methoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 931984
N-[bis(4-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 2836812
1-(3-methoxyphenyl)-2-(4-nitrophenoxy)ethanone
CID 898904
(3-methoxyphenyl) (4-nitrophenyl) carbonate
CID 67038917
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide
CID 7937122
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-methoxybenzoate
CID 7702979
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 135716312
3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide
CID 4992628
3-methoxy-N-[3-(4-nitroanilino)propyl]benzamide
CID 585373
3-methoxy-N-[6-(4-nitroanilino)hexyl]benzamide
CID 42704469
[[(4-nitrophenyl)-phenylmethylidene]amino]thiourea
CID 3633484

Frequently Asked Questions

What is the IUPAC name of N-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide?
The IUPAC name of N-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide (CID 86584472) is N-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide.
What is the SMILES notation for N-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide?
The canonical SMILES for N-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide is COc1cccc(C(=NNC(C)=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide?
The InChIKey is NBSFDWHNYFRYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-11(20)17-18-16(13-4-3-5-15(10-13)23-2)12-6-8-14(9-7-12)19(21)22/h3-10H,1-2H3,(H,17,20).
What are the key properties of N-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide?
N-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide has a molecular weight of 313.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3-methoxyphenyl)-(4-nitrophenyl)methylidene]amino]acetamide is sourced from PubChem (CID 86584472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).